Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside
PubChem CID: 44258129
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| Compound Synonyms | Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside, CHEBI:187521, LMPK12110705, 3-[[(3S,4S,6S)-5-[(2S,3S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4-hydroxy-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid |
|---|---|
| Topological Polar Surface Area | 368.0 |
| Hydrogen Bond Donor Count | 12.0 |
| Inchi Key | UAGBVLJNVRPERW-GGBSEEMMSA-N |
| Rotatable Bond Count | 14.0 |
| Heavy Atom Count | 58.0 |
| Compound Name | Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside |
| Description | Luteolin 7-o-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Thus, luteolin 7-o-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside is considered to be a flavonoid lipid molecule. Luteolin 7-o-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Luteolin 7-o-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside can be found in a number of food items such as yellow bell pepper, green bell pepper, italian sweet red pepper, and red bell pepper, which makes luteolin 7-o-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside a potential biomarker for the consumption of these food products. |
| Exact Mass | 828.196 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 828.196 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1480.0 |
| Hydrogen Bond Acceptor Count | 23.0 |
| Molecular Weight | 828.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | 3-[[(3S,4S,6S)-5-[(2S,3S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4-hydroxy-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid |
| Total Atom Stereocenter Count | 13.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C35H40O23/c36-8-20-25(45)26(46)27(47)32(55-20)57-29-21(9-51-23(44)7-22(42)43)56-33(30(28(29)48)58-34-31(49)35(50,10-37)11-52-34)53-13-4-16(40)24-17(41)6-18(54-19(24)5-13)12-1-2-14(38)15(39)3-12/h1-6,20-21,25-34,36-40,45-50H,7-11H2,(H,42,43)/t20?,21?,25-,26+,27?,28+,29-,30?,31-,32+,33-,34+,35?/m1/s1 |
| Smiles | C1C([C@@H]([C@@H](O1)OC2[C@H]([C@@H](C(O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)COC(=O)CC(=O)O)O[C@H]6C([C@H]([C@@H](C(O6)CO)O)O)O)O)O)(CO)O |
| Xlogp | -2.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C35H40O23 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all